2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine

C22H27N5 — CID 95819483

IUPAC2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
SMILESCC(C)c1nccn1-c1nccnc1[C@@H]1CCCN1CCc1ccccc1
InChIInChI=1S/C22H27N5/c1-17(2)21-25-13-16-27(21)22-20(23-11-12-24-22)19-9-6-14-26(19)15-10-18-7-4-3-5-8-18/h3-5,7-8,11-13,16-17,19H,6,9-10,14-15H2,1-2H3/t19-/m0/s1
InChIKeyGZCBYYKDEWLJKI-IBGZPJMESA-N
MW361.49 g/mol
LogP4.17
Rot. Bonds6

About 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine

2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine (PubChem CID 95819483) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
PubChem CID95819483
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
SMILESCC(C)c1nccn1-c1nccnc1[C@@H]1CCCN1CCc1ccccc1
InChIInChI=1S/C22H27N5/c1-17(2)21-25-13-16-27(21)22-20(23-11-12-24-22)19-9-6-14-26(19)15-10-18-7-4-3-5-8-18/h3-5,7-8,11-13,16-17,19H,6,9-10,14-15H2,1-2H3/t19-/m0/s1
InChIKeyGZCBYYKDEWLJKI-IBGZPJMESA-N
XLogP4.17
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
The IUPAC name of 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine (CID 95819483) is 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine.
What is the SMILES notation for 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
The canonical SMILES for 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine is CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN1CCc1ccccc1.
What is the InChIKey of 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
The InChIKey is GZCBYYKDEWLJKI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N5/c1-17(2)21-25-13-16-27(21)22-20(23-11-12-24-22)19-9-6-14-26(19)15-10-18-7-4-3-5-8-18/h3-5,7-8,11-13,16-17,19H,6,9-10,14-15H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine has a molecular weight of 361.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine is sourced from PubChem (CID 95819483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).